input word = C00053362

Metabolite InformationStructural formula
Name Isofraxoside
Formula C16H18O10
Mw 370.0899968
CAS RN 24778-11-8
C_ID C00053362
InChIKey RVWWDDKOKZXKCJ-ZOLYHUHESA-N
InChICode InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)13(22)15(7)26-16-12(21)11(20)10(19)8(5-17)24-16/h2-4,8,10-12,16-17,19-22H,5H2,1H3/t8-,10-,11+,12-,16+/m1/s1
SMILES O=C(C=C1)OC2=C1C=C(OC)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGeraniaceaePelargonium sidoides Ref.
zoom in